Information card for entry 4518260

Structure parameters

• Formula: C24 H24 F3 N O2 S
• Calculated formula: C24 H24 F3 N O2 S
• Title of publication: Sulfonamide Directivity Enables Ni-Catalyzed 1,2-Diarylation of Diverse Alkenyl Amines
• Authors of publication: Apolinar, Omar; Tran, Van T.; Kim, Nana; Schmidt, Michael A.; Derosa, Joseph; Engle, Keary M.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 14234 - 14239
• a: 16.6732 ± 0.0007 Å
• b: 7.8057 ± 0.0003 Å
• c: 16.9323 ± 0.0007 Å
• α: 90°
• β: 103.9 ± 0.001°
• γ: 90°
• Cell volume: 2139.14 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No